2-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-methylpropan-1-ol

C15H22O2 — CID 117113680

IUPAC2-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-methylpropan-1-ol
SMILESCOCC1(c2ccccc2C(C)(C)CO)CC1
InChIInChI=1S/C15H22O2/c1-14(2,10-16)12-6-4-5-7-13(12)15(8-9-15)11-17-3/h4-7,16H,8-11H2,1-3H3
InChIKeyCOLWRWPTMXFQMD-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.63
Rot. Bonds5

About 2-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-methylpropan-1-ol

2-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-methylpropan-1-ol (PubChem CID 117113680) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-methylpropan-1-ol
PubChem CID117113680
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-methylpropan-1-ol
SMILESCOCC1(c2ccccc2C(C)(C)CO)CC1
InChIInChI=1S/C15H22O2/c1-14(2,10-16)12-6-4-5-7-13(12)15(8-9-15)11-17-3/h4-7,16H,8-11H2,1-3H3
InChIKeyCOLWRWPTMXFQMD-UHFFFAOYSA-N
XLogP2.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenyl-1-propanol
CID 14295
1-Phenyl-2-pentanol
CID 61202
2-Methylphenethyl alcohol
CID 88267
Benzeneethanol, 4-(1-methylethyl)-
CID 82349
Dimethyl phenylbutanol
CID 99870
2-Methyl-4-phenyl-1-pentanol
CID 3021997
p-tert-Butylphenethyl alcohol
CID 79410
2-Benzyl-2-methyl-1,3-propanediol
CID 299476
2-Phenylbutane-1-ol
CID 95542
((1S,2S)-2-phenylcyclopropyl)methanol
CID 6427564
Benzenepropanol, 4-(1,1-dimethylethyl)-beta-methyl-
CID 92013
3-Methylbenzeneethanol
CID 74648

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-methylpropan-1-ol (CID 117113680) is 2-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-methylpropan-1-ol is COCC1(c2ccccc2C(C)(C)CO)CC1.
What is the InChIKey of 2-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-methylpropan-1-ol?
The InChIKey is COLWRWPTMXFQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-14(2,10-16)12-6-4-5-7-13(12)15(8-9-15)11-17-3/h4-7,16H,8-11H2,1-3H3.
What are the key properties of 2-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-methylpropan-1-ol?
2-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-methylpropan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 117113680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).